Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities
Abir Sagaama, Olfa Noureddine, Silvia Antonia Brandán, Anna Jarczyk- Jędryka, Henryk T. Flakus, Houcine Ghalla, Noureddine Issaoui
Topics & Concepts
Natural bond orbitalChemistryHOMO/LUMOBenzofuranComputational chemistryMolecular orbitalIntermolecular forceMonomerMoleculeDocking (animal)Density functional theoryCarboxylic acidStereochemistryOrganic chemistryNursingMedicinePolymerNonlinear Optical Materials ResearchSynthesis and biological activityChemical synthesis and pharmacological studies